Fix typos in src files

This commit is contained in:
Richard Berger 2017-03-05 20:35:52 -05:00
parent 084d831bce
commit 7dd60f9737
59 changed files with 89 additions and 89 deletions

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@ -43,10 +43,10 @@ class PairYukawaColloid : public PairYukawa {
E: Pair yukawa/colloid requires atom style sphere
Self-explantory.
Self-explanatory.
E: Pair yukawa/colloid requires atoms with same type have same radius
Self-explantory.
Self-explanatory.
*/

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@ -54,6 +54,6 @@ package
E: Cannot use newton pair with born/gpu pair style
Self-explantory.
Self-explanatory.
*/

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@ -53,6 +53,6 @@ package
E: Cannot use newton pair with zbl/gpu pair style
Self-explantory.
Self-explanatory.
*/

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@ -80,15 +80,15 @@ command-line option when running LAMMPS to see the offending line.
W: Using largest cutoff for buck/long/coul/long
Self-exlanatory.
Self-explanatory.
E: Cutoffs missing in pair_style buck/long/coul/long
Self-exlanatory.
Self-explanatory.
E: LJ6 off not supported in pair_style buck/long/coul/long
Self-exlanatory.
Self-explanatory.
E: Coulomb cut not supported in pair_style buck/long/coul/coul

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@ -513,7 +513,7 @@ E: Cannot compute initial g_ewald_disp
LAMMPS failed to compute an initial guess for the PPPM_disp g_ewald_6
factor that partitions the computation between real space and k-space
for Disptersion interactions.
for Dispersion interactions.
E: Could not compute grid size for Dispersion

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@ -274,7 +274,7 @@ atomic structure to ensure that it is realistic.
E: Too many atom triplets for pair bop
The number of three atom groups for angle determinations exceeds the
expected number. Check your atomic structrure to ensure that it is
expected number. Check your atomic structure to ensure that it is
realistic.
E: Cannot open BOP potential file %s

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@ -148,7 +148,7 @@ Self-explanatory.
E: Initial temperatures not all set in fix ttm
Self-explantory.
Self-explanatory.
W: Too many inner timesteps in fix ttm

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@ -63,7 +63,7 @@ Check that the path and name are correct.
E: Cannot use fix reax/bonds without pair_style reax
Self-explantory.
Self-explanatory.
E: Fix reax/bonds numbonds > nsbmax_most

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@ -106,7 +106,7 @@ for NEB.
E: Too many timesteps
The cummulative timesteps must fit in a 64-bit integer.
The cumulative timesteps must fit in a 64-bit integer.
E: Unexpected end of neb file

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@ -122,7 +122,7 @@ after the PRD simulation.
E: Too many timesteps
The cummulative timesteps must fit in a 64-bit integer.
The cumulative timesteps must fit in a 64-bit integer.
E: Cannot use PRD with a changing box

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@ -145,7 +145,7 @@ after the PRD simulation.
E: Too many timesteps
The cummulative timesteps must fit in a 64-bit integer.
The cumulative timesteps must fit in a 64-bit integer.
E: Too many iterations

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@ -96,7 +96,7 @@ temperature (nvt or langevin).
E: Too many timesteps
The cummulative timesteps must fit in a 64-bit integer.
The cumulative timesteps must fit in a 64-bit integer.
E: Tempering could not find thermo_pe compute

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@ -700,7 +700,7 @@ double PairSNAP::extra_cutoff()
// Note that at most one atom is exchanged per processor pair.
// Also note that the local atom assignement
// Also note that the local atom assignment
// doesn't change. This load balancer will cause
// some ghost atoms to have full neighborlists
// which are unique to PairSNAP.

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@ -811,7 +811,7 @@ void FixSRD::post_force(int vflag)
}
// if wall has moved too far, trigger reneigh on next step
// analagous to neighbor check for big particle moving 1/2 of skin distance
// analogous to neighbor check for big particle moving 1/2 of skin distance
if (wallexist) {
for (m = 0; m < nwall; m++)

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@ -95,9 +95,9 @@ private:
// AWPMD- specific:
///\en electron tag: must be the same for the WPs belonging to the same electron
int *etag;
///\en wavepacket split coeffcients: cre, cim, size is 2*N
///\en wavepacket split coefficients: cre, cim, size is 2*N
double *cs;
///\en force on wavepacket split coeffcients: re, im, size is 2*N
///\en force on wavepacket split coefficients: re, im, size is 2*N
double *csforce;
///\en (generalized) force on velocity, size is 3*N
double *vforce;

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@ -106,15 +106,15 @@ Self-explanatory.
E: Invalid fix ave/time off column
Self-explantory.
Self-explanatory.
E: Fix ave/time compute does not calculate a scalar
Self-explantory.
Self-explanatory.
E: Fix ave/time compute does not calculate a vector
Self-explantory.
Self-explanatory.
E: Fix ave/time compute vector is accessed out-of-range

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@ -77,7 +77,7 @@ in energy directly.
E: Must use variable energy with fix grem
Must define an energy vartiable when applyting a dynamic
Must define an energy variable when applying a dynamic
force during minimization.
*/

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@ -26,7 +26,7 @@
(2002)
This potential does not affect small amplitude vibrations
but is used in an ad hoc way to prevent the onset of
accidentially large amplitude fluctuations leading to
accidentally large amplitude fluctuations leading to
the occurrence of a planar conformation of the three
bonds i, i + 1 and i', an intermediate conformation
toward the chiral inversion of a methine carbon.

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@ -101,7 +101,7 @@ temperature (nvt or npt).
E: Too many timesteps
The cummulative timesteps must fit in a 64-bit integer.
The cumulative timesteps must fit in a 64-bit integer.
E: Grem could not find thermo_pe compute

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@ -70,15 +70,15 @@ Self-explanatory.
W: Using largest cutoff for buck/long/coul/long
Self-exlanatory.
Self-explanatory.
E: Cutoffs missing in pair_style buck/long/coul/long
Self-exlanatory.
Self-explanatory.
E: LJ6 off not supported in pair_style buck/long/coul/long
Self-exlanatory.
Self-explanatory.
E: Coulomb cut not supported in pair_style buck/long/coul/coul

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@ -312,7 +312,7 @@ void LAMMPS_NS::data_reduce_thr(double *dall, int nall, int nthreads, int ndim,
int m = 0;
// for architectures that have L1 D-cache line sizes of 64 bytes
// (8 doubles) wide, explictly unroll this loop to compute 8
// (8 doubles) wide, explicitly unroll this loop to compute 8
// contiguous values in the array at a time
// -- modify this code based on the size of the cache line
double t0, t1, t2, t3, t4, t5, t6, t7;

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@ -89,7 +89,7 @@ class FixQBMSST : public Fix {
int seed; // seed for the random number generator
double f_max; // frequency cutoff
int N_f; // number of frequency grid
double eta; // coupling coefficient bewteen shock and the qtb
double eta; // coupling coefficient between shock and the qtb
int beta; // average beta steps before updating the qtb temperature
double t_init; // initial qtb temperature
int qtb_set; // 1 if its a restarting qbmsst, 0 if not

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@ -249,7 +249,7 @@ void PairTriSurf::compute(int eflag, int vflag) {
}
/*
* if particle comes too close to triangle, reflect its velocity and explicitely move it away
* if particle comes too close to triangle, reflect its velocity and explicitly move it away
*/
touch_distance = 1.0 * radius[particle];

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@ -147,7 +147,7 @@ output to dump file.
E: Invalid attribute in dump custom command
Self-explantory.
Self-explanatory.
E: Dump_modify format string is too short
@ -186,7 +186,7 @@ cannot be used in a dump between runs.
E: Threshhold for an atom property that isn't allocated
A dump threshhold has been requested on a quantity that is
A dump threshold has been requested on a quantity that is
not defined by the atom style used in this simulation.
E: Dumping an atom property that isn't allocated
@ -255,7 +255,7 @@ Number of element names must equal number of atom types.
E: Invalid attribute in dump modify command
Self-explantory.
Self-explanatory.
E: Could not find dump modify compute ID
@ -313,7 +313,7 @@ E: Could not find dump modify custom atom integer property ID
Self-explanatory.
E: Invalid dump_modify threshhold operator
E: Invalid dump_modify threshold operator
Operator keyword used for threshold specification in not recognized.

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@ -97,7 +97,7 @@ class Atom : protected Pointers {
// molecular info
int **nspecial; // 0,1,2 = cummulative # of 1-2,1-3,1-4 neighs
int **nspecial; // 0,1,2 = cumulative # of 1-2,1-3,1-4 neighs
tagint **special; // IDs of 1-2,1-3,1-4 neighs of each atom
int maxspecial; // special[nlocal][maxspecial]

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@ -140,7 +140,7 @@ the atom coordinate.
E: Insufficient Jacobi rotations for triangle
The calculation of the intertia tensor of the triangle failed. This
The calculation of the inertia tensor of the triangle failed. This
should not happen if it is a reasonably shaped triangle.
*/

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@ -276,7 +276,7 @@ void Balance::command(int narg, char **arg)
set_weights();
double imbinit = imbalance_factor(maxinit);
// no load-balance if imbalance doesn't exceed threshhold
// no load-balance if imbalance doesn't exceed threshold
// unless switching from tiled to non tiled layout, then force rebalance
if (comm->layout == LAYOUT_TILED && style != BISECTION) {
@ -640,7 +640,7 @@ int *Balance::bisection(int sortflag)
double *shrinkhi = &shrinkall[3];
// invoke RCB
// then invert() to create list of proc assignements for my atoms
// then invert() to create list of proc assignments for my atoms
if (wtflag) {
weight = fixstore->vstore;
@ -776,7 +776,7 @@ int Balance::shift()
bigint natoms = atom->natoms;
if (natoms == 0) return 0;
// set delta for 1d balancing = root of threshhold
// set delta for 1d balancing = root of threshold
// root = # of dimensions being balanced on
double delta = pow(stopthresh,1.0/ndim) - 1.0;
@ -865,7 +865,7 @@ int Balance::shift()
// stop if all split sums are within delta of targets
// this is a 1d test of particle count per slice
// assumption is that this is sufficient accuracy
// for 3d imbalance factor to reach threshhold
// for 3d imbalance factor to reach threshold
doneflag = 1;
for (i = 1; i < np; i++)
@ -918,7 +918,7 @@ int Balance::shift()
}
*/
// stop at this point in bstr if imbalance factor < threshhold
// stop at this point in bstr if imbalance factor < threshold
// this is a true 3d test of particle count per processor
double imbfactor = imbalance_splits(max);
@ -937,7 +937,7 @@ int Balance::shift()
N = # of slices
split = N+1 cuts between N slices
return updated count = particles per slice
return updated sum = cummulative count below each of N+1 splits
return updated sum = cumulative count below each of N+1 splits
use binary search to find which slice each atom is in
------------------------------------------------------------------------- */
@ -972,8 +972,8 @@ void Balance::tally(int dim, int n, double *split)
/* ----------------------------------------------------------------------
adjust cuts between N slices in a dim via recursive multisectioning method
split = current N+1 cuts, with 0.0 and 1.0 at end points
sum = cummulative count up to each split
target = desired cummulative count up to each split
sum = cumulative count up to each split
target = desired cumulative count up to each split
lo/hi = split values that bound current split
update lo/hi to reflect sums at current split values
overwrite split with new cuts

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@ -49,7 +49,7 @@ class Balance : protected Pointers {
private:
int me,nprocs;
double thresh; // threshhold to perform LB
double thresh; // threshold to perform LB
int style; // style of LB
int xflag,yflag,zflag; // xyz LB flags
double *user_xsplit,*user_ysplit,*user_zsplit; // params for xyz LB
@ -63,10 +63,10 @@ class Balance : protected Pointers {
int *bdim; // XYZ for each character in bstr
double *onecost; // work vector of counts in one dim
double *allcost; // counts for slices in one dim
double *sum; // cummulative count for slices in one dim
double *sum; // cumulative count for slices in one dim
double *target; // target sum for slices in one dim
double *lo,*hi; // lo/hi split coords that bound each target
double *losum,*hisum; // cummulative counts at lo/hi coords
double *losum,*hisum; // cumulative counts at lo/hi coords
int rho; // 0 for geometric recursion
// 1 for density weighted recursion

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@ -52,7 +52,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute bond must use group all
Bond styles accumlate energy on all atoms.
Bond styles accumulate energy on all atoms.
E: Unrecognized bond style in compute bond command

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@ -52,7 +52,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute bond must use group all
Bond styles accumlate energy on all atoms.
Bond styles accumulate energy on all atoms.
E: Unrecognized bond style in compute bond command

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@ -248,11 +248,11 @@ The lo/hi values are inconsistent.
E: Compute chunk/atom bin/sphere radius is too large for periodic box
Radius cannot be bigger than 1/2 of any periodic dimention.
Radius cannot be bigger than 1/2 of any periodic dimension.
E: Compute chunk/atom bin/cylinder radius is too large for periodic box
Radius cannot be bigger than 1/2 of a non-axis periodic dimention.
Radius cannot be bigger than 1/2 of a non-axis periodic dimension.
E: Cannot use compute chunk/atom bin z for 2d model

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@ -57,11 +57,11 @@ command-line option when running LAMMPS to see the offending line.
E: Compute cna/atom requires a pair style be defined
Self-explantory.
Self-explanatory.
E: Compute cna/atom cutoff is longer than pairwise cutoff
Self-explantory.
Self-explanatory.
W: Compute cna/atom cutoff may be too large to find ghost atom neighbors

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@ -60,7 +60,7 @@ Self-explanatory.
E: Compute contact/atom requires a pair style be defined
Self-explantory.
Self-explanatory.
W: More than one compute contact/atom

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@ -67,7 +67,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute coord/atom requires a pair style be defined
Self-explantory.
Self-explanatory.
E: Compute coord/atom cutoff is longer than pairwise cutoff

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@ -52,7 +52,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute bond must use group all
Bond styles accumlate energy on all atoms.
Bond styles accumulate energy on all atoms.
E: Unrecognized bond style in compute bond command

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@ -72,7 +72,7 @@ Cannot calculate group interactions without a pair style defined.
E: Pair style does not support compute group/group
The pair_style does not have a single() function, so it cannot be
invokded by the compute group/group command.
invoked by the compute group/group command.
E: No Kspace style defined for compute group/group
@ -84,6 +84,6 @@ Self-explanatory.
W: Both groups in compute group/group have a net charge; the Kspace boundary correction to energy will be non-zero
Self-explantory.
Self-explanatory.
*/

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@ -62,7 +62,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute hexorder/atom requires a pair style be defined
Self-explantory.
Self-explanatory.
E: Compute hexorder/atom cutoff is longer than pairwise cutoff

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@ -52,7 +52,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute bond must use group all
Bond styles accumlate energy on all atoms.
Bond styles accumulate energy on all atoms.
E: Unrecognized bond style in compute bond command

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@ -72,7 +72,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute orientorder/atom requires a pair style be defined
Self-explantory.
Self-explanatory.
E: Compute orientorder/atom cutoff is longer than pairwise cutoff

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@ -54,7 +54,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute pair must use group all
Pair styles accumlate energy on all atoms.
Pair styles accumulate energy on all atoms.
E: Unrecognized pair style in compute pair command

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@ -81,15 +81,15 @@ It will only store IDs if its compress option is enabled.
E: Compute chunk/atom stores no coord1 for compute property/chunk
Only certain binning options for comptue chunk/atom store coordinates.
Only certain binning options for compute chunk/atom store coordinates.
E: Compute chunk/atom stores no coord2 for compute property/chunk
Only certain binning options for comptue chunk/atom store coordinates.
Only certain binning options for compute chunk/atom store coordinates.
E: Compute chunk/atom stores no coord3 for compute property/chunk
Only certain binning options for comptue chunk/atom store coordinates.
Only certain binning options for compute chunk/atom store coordinates.
E: Invalid keyword in compute property/chunk command

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@ -99,7 +99,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute property/local cannot use these inputs together
Only inputs that generate the same number of datums can be used
togther. E.g. bond and angle quantities cannot be mixed.
together. E.g. bond and angle quantities cannot be mixed.
E: Invalid keyword in compute property/local command

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@ -88,7 +88,7 @@ is the number of atom types.
E: Molecule template ID for create_atoms does not exist
Self-explantory.
Self-explanatory.
W: Molecule template for create_atoms has multiple molecules

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@ -206,7 +206,7 @@ output to dump file.
E: Invalid attribute in dump custom command
Self-explantory.
Self-explanatory.
E: Dump_modify format string is too short
@ -314,7 +314,7 @@ Number of element names must equal number of atom types.
E: Invalid attribute in dump modify command
Self-explantory.
Self-explanatory.
E: Could not find dump modify compute ID

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@ -125,7 +125,7 @@ Every column of output must be the same length.
E: Invalid attribute in dump local command
Self-explantory.
Self-explanatory.
E: Dump local compute does not compute local info

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@ -85,7 +85,7 @@ in energy directly.
E: Must use variable energy with fix addforce
Must define an energy vartiable when applyting a dynamic
Must define an energy variable when applying a dynamic
force during minimization.
*/

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@ -126,7 +126,7 @@ void FixAveHistoWeight::end_of_step()
modify->clearstep_compute();
// calcualte weight factors which are 2nd value (i = 1)
// calculate weight factors which are 2nd value (i = 1)
double weight = 0.0;
double *weights = NULL;

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@ -101,15 +101,15 @@ Self-explanatory.
E: Invalid fix ave/time off column
Self-explantory.
Self-explanatory.
E: Fix ave/time compute does not calculate a scalar
Self-explantory.
Self-explanatory.
E: Fix ave/time compute does not calculate a vector
Self-explantory.
Self-explanatory.
E: Fix ave/time compute vector is accessed out-of-range

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@ -189,7 +189,7 @@ void FixBalance::setup_pre_exchange()
domain->reset_box();
if (domain->triclinic) domain->lamda2x(atom->nlocal);
// perform a rebalance if threshhold exceeded
// perform a rebalance if threshold exceeded
balance->set_weights();
imbnow = balance->imbalance_factor(maxloadperproc);
@ -224,7 +224,7 @@ void FixBalance::pre_exchange()
domain->reset_box();
if (domain->triclinic) domain->lamda2x(atom->nlocal);
// perform a rebalance if threshhold exceeded
// perform a rebalance if threshold exceeded
// if weight variable is used, wrap weight setting in clear/add compute
if (balance->varflag) modify->clearstep_compute();

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@ -107,7 +107,7 @@ Only one fix deform can be defined at a time.
E: Variable name for fix deform does not exist
Self-explantory.
Self-explanatory.
E: Variable for fix deform is invalid style

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@ -80,7 +80,7 @@ W: One or more dynamic groups may not be updated at correct point in timestep
If there are other fixes that act immediately after the intitial stage
of time integration within a timestep (i.e. after atoms move), then
the command that sets up the dynamic group should appear after those
fixes. This will insure that dynamic group assignements are made
fixes. This will insure that dynamic group assignments are made
after all atoms have moved.
*/

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@ -38,7 +38,7 @@ FixShearHistory::FixShearHistory(LAMMPS *lmp, int narg, char **arg) :
npartner(NULL), partner(NULL), shearpartner(NULL), pair(NULL),
ipage(NULL), dpage(NULL)
{
if (narg != 4) error->all(FLERR,"Illegal fix SHEAR_HISTORY commmand");
if (narg != 4) error->all(FLERR,"Illegal fix SHEAR_HISTORY command");
restart_peratom = 1;
create_attribute = 1;

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@ -918,7 +918,7 @@ void Neighbor::morph_other()
requests[i-1]->historylist = i;
}
// if respaouter, point all asociated rRESPA lists at each other
// if respaouter, point all associated rRESPA lists at each other
if (irq->respaouter) {
if (requests[i-1]->respainner) {

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@ -172,7 +172,7 @@ W: New thermo_style command, previous thermo_modify settings will be lost
If a thermo_style command is used after a thermo_modify command, the
settings changed by the thermo_modify command will be reset to their
default values. This is because the thermo_modify commmand acts on
default values. This is because the thermo_modify command acts on
the currently defined thermo style, and a thermo_style command creates
a new style.

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@ -168,7 +168,7 @@ void PairGauss::settings(int narg, char **arg)
cut_global = force->numeric(FLERR,arg[0]);
// reset cutoffs that have been explicity set
// reset cutoffs that have been explicitly set
if (allocated) {
int i,j;

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@ -71,6 +71,6 @@ Self-explanatory.
E: Too many timesteps
The cummulative timesteps must fit in a 64-bit integer.
The cumulative timesteps must fit in a 64-bit integer.
*/

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@ -95,7 +95,7 @@ class Thermo : protected Pointers {
char **id_fix; // their IDs
class Fix **fixes; // list of ptrs to the Fix objects
int nvariable; // # of variables evaulated by thermo
int nvariable; // # of variables evaluated by thermo
char **id_variable; // list of variable names
int *variables; // list of Variable indices

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@ -1004,7 +1004,7 @@ void Variable::compute_atom(int ivar, int igroup,
return length of vector and result pointer to vector values
if length == 0 or -1 (mismatch), generate an error
if variable already computed on this timestep, just return
else evaulate the formula and its length, store results in VecVar entry
else evaluate the formula and its length, store results in VecVar entry
------------------------------------------------------------------------- */
int Variable::compute_vector(int ivar, double **result)
@ -2747,7 +2747,7 @@ double Variable::collapse_tree(Tree *tree)
/* ----------------------------------------------------------------------
evaluate an atom-style or vector-style variable parse tree
index I = atom I or vector index I
tree was created by one-time parsing of formula string via evaulate()
tree was created by one-time parsing of formula string via evaluate()
customize by adding a function:
sqrt(),exp(),ln(),log(),sin(),cos(),tan(),asin(),acos(),atan(),
atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),

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@ -355,7 +355,7 @@ Self-explanatory.
E: Non digit character between brackets in variable
Self-explantory.
Self-explanatory.
E: Mismatched brackets in variable